SCHEMBL25959458

SCHEMBL25959458

CCc1cc(Nc2ccc(N3CCN(CC)CC3)cn2)c(=O)n(C)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.49
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ SYK P43405 6/20 0.45
▸ WNT3A P56704 1/20 0.44
▸ CCNK O75909 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1392842 0.88 BTK (0.49) BTKCCNA2CDK2SYKWNT3A
SCHEMBL1393209 0.82 BTK (0.47) BTKCCNA2CDK2SYK
SCHEMBL10290290 0.81 BTK (0.46) BTKCCNA2CDK2SYK
SCHEMBL14925821 0.80 BTK (0.44) BTK
SCHEMBL610867 0.79 CCNA2 (0.49) BTKCCNA2CDK2SYKWNT3A
SCHEMBL29741795 0.78 BTK (0.46) BTKCCNA2CDK2CDK4CCND1
SCHEMBL14912436 0.78 BTK (0.46) BTKCCNA2CDK2CDK4CCND1
SCHEMBL1392917 0.78 BTK (0.49) BTK
SCHEMBL708026 0.76 BTK (0.52) BTKCCND3CDK9CDK6CDK4
SCHEMBL14912015 0.75 CDK4 (0.47) BTKCDK2CDK4CCND1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137225-A1 BTK DEGRADER NEWAVE PHARMACEUTICAL INC. (US) 2023-07-20 — — WO disclosed
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